Chlorine in PDB 2r5o: Crystal Structure of the C-Terminal Domain of Wzt

The structure of Crystal Structure of the C-Terminal Domain of Wzt, PDB code: 2r5o was solved by M.S.Kimber, L.Cuthbertson, C.Whitfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.30
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	106.081, 106.081, 70.351, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 18.2

The structure of Crystal Structure of the C-Terminal Domain of Wzt also contains other interesting chemical elements:

Sodium

(Na)

5 atoms

The binding sites of Chlorine atom in the Crystal Structure of the C-Terminal Domain of Wzt (pdb code 2r5o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the C-Terminal Domain of Wzt, PDB code: 2r5o:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the C-Terminal Domain of Wzt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the C-Terminal Domain of Wzt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:15.1 occ:1.00 O A:HOH463 3.1 18.8 1.0 O A:HOH444 3.1 15.0 1.0 NE A:ARG402 3.2 16.1 1.0 NH2 A:ARG402 3.4 18.7 1.0 CB A:ARG402 3.7 14.2 1.0 O A:PHE386 3.7 14.7 1.0 CZ A:ARG402 3.8 17.9 1.0 CB A:SER385 3.8 14.5 1.0 CA A:ARG402 3.9 13.5 1.0 C A:PHE386 3.9 14.0 1.0 CA A:GLY387 3.9 13.7 1.0 N A:ARG403 4.0 13.7 1.0 N A:GLY387 4.0 13.3 1.0 C A:ARG402 4.1 13.8 1.0 CD A:ARG402 4.2 15.6 1.0 CD1 A:LEU335 4.3 17.1 1.0 O A:HOH559 4.3 30.9 1.0 CA A:TYR404 4.4 14.5 1.0 N A:TYR404 4.4 14.3 1.0 C A:ARG403 4.5 13.5 1.0 CG A:ARG402 4.5 14.8 1.0 CB A:TYR404 4.6 15.5 1.0 N A:PHE386 4.6 13.2 1.0 OG A:SER385 4.6 14.2 1.0 O A:ARG403 4.6 13.5 1.0 C A:SER385 4.7 13.6 1.0 CG A:LEU335 4.8 15.8 1.0 CA A:PHE386 4.8 13.5 1.0 CA A:SER385 4.9 13.6 1.0 CD1 A:TYR404 4.9 17.8 1.0 CA A:ARG403 4.9 13.9 1.0 O A:ARG402 4.9 14.1 1.0 NE1 A:TRP286 5.0 13.1 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the C-Terminal Domain of Wzt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the C-Terminal Domain of Wzt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2 b:14.7 occ:1.00 NH1 A:ARG356 3.2 15.3 1.0 O A:HOH523 3.3 22.8 1.0 CD A:ARG356 3.8 17.4 1.0 CZ A:ARG356 4.3 16.0 1.0 O A:SER353 4.5 15.7 1.0 NE A:ARG356 4.5 16.9 1.0 CB A:ARG356 4.6 17.0 1.0 CG A:ARG356 4.6 17.4 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the C-Terminal Domain of Wzt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the C-Terminal Domain of Wzt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl8 b:19.4 occ:1.00 O A:HOH544 2.9 20.1 1.0 NH1 A:ARG356 3.2 15.3 1.0 N B:PHE427 3.2 12.6 1.0 NH2 A:ARG356 3.5 17.8 1.0 CA B:SER426 3.6 13.7 1.0 CZ A:ARG356 3.8 16.0 1.0 O B:PHE427 3.8 12.1 1.0 C B:SER426 3.9 13.8 1.0 CB B:SER426 3.9 13.7 0.3 CB B:SER426 3.9 14.1 0.7 O A:ALA352 4.0 17.1 1.0 CA A:SER353 4.1 16.0 1.0 O A:HOH523 4.1 22.8 1.0 O B:HOH598 4.2 30.6 1.0 CA B:PHE427 4.2 12.2 1.0 CB A:SER353 4.3 16.3 1.0 CB B:PHE427 4.4 12.9 1.0 OG B:SER426 4.4 14.3 0.3 C B:PHE427 4.5 11.8 1.0 C A:ALA352 4.5 16.1 1.0 N A:SER353 4.6 15.8 1.0 O B:SER425 4.7 13.5 1.0 N B:SER426 4.9 12.9 1.0

L.Cuthbertson, M.S.Kimber, C.Whitfield. Substrate Binding By A Bacterial Abc Transporter Involved in Polysaccharide Export. Proc.Natl.Acad.Sci.Usa V. 104 19529 2007.
ISSN: ISSN 0027-8424
PubMed: 18032609
DOI: 10.1073/PNAS.0705709104